{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6852315 0.2393985 0.4264483 ] [ 0.2220788 0.5090328 2.375346 ] [ 0.2247887 2.304208 0.7234447 ] [ 2.310751 0.3633962 2.825111 ] [ 2.727094 1.886457 0.3477298 ] [ 2.582747 2.923748 2.275544 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.852315e-11 2.393985e-11 4.264483e-11 ] [ 2.220788e-11 5.090328e-11 2.375346e-10 ] [ 2.247887e-11 2.304208e-10 7.234447000000001e-11 ] [ 2.310751e-10 3.633962e-11 2.825111e-10 ] [ 2.727094e-10 1.886457e-10 3.477298e-11 ] [ 2.582747e-10 2.923748e-10 2.275544e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5599032 -9.5060957 -11.8177731 ] [ -8.7952563 1.0061992 11.541128 ] [ -5.4619066 7.6430509 -0.7313634 ] [ 5.8188665 -4.0228618 2.7524307 ] [ 6.4530633 0.7458765 -4.7297911 ] [ 0.4253298 4.1338308 2.9853689 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.499240437751106e-09 -1.523044428562741e-08 -1.893415977073914e-08 ] [ -1.409155401780391e-08 1.612108834107663e-09 1.849092545926026e-08 ] [ -8.750939059513217e-09 1.22455174635644e-08 -1.171773340788799e-09 ] [ 9.322851865856325e-09 -6.445335124669406e-09 4.409880117912179e-09 ] [ 1.03389471518025e-08 1.195025890304131e-09 -7.577960721687914e-09 ] [ 6.814534616895398e-10 6.623127062102962e-09 4.783088256043414e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.93374823 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.496029583819381e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3823839 0.7966982 -0.0246121 ] [ 0.4551562 0.0387373 3.0968162 ] [ -0.8551827 2.1654331 -0.3036779 ] [ 2.2226387 -0.2360899 3.6291323 ] [ 3.3484441 2.1053028 0.5995076 ] [ 3.1992508 3.3561589 1.9764576 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.823839e-11 7.966982000000001e-11 -2.46121e-12 ] [ 4.551562e-11 3.873730000000001e-12 3.0968162e-10 ] [ -8.551827e-11 2.1654331e-10 -3.036779e-11 ] [ 2.2226387e-10 -2.360899e-11 3.629132300000001e-10 ] [ 3.3484441e-10 2.1053028e-10 5.995076000000001e-11 ] [ 3.1992508e-10 3.3561589e-10 1.9764576e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001041 5.86e-05 1.05e-05 ] [ 0.0001387 -3.47e-05 -6.59e-05 ] [ -2.7e-05 1.78e-05 -0.0001069 ] [ -8.4e-06 -3.62e-05 0.0001532 ] [ -2.11e-05 1.43e-05 3.62e-05 ] [ 2.2e-05 -1.99e-05 -2.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6678658622528e-13 9.388754997888e-14 1.68228545184e-14 ] [ 2.2222189730496e-13 -5.559552874176001e-14 -1.0558343931072e-13 ] [ -4.32587687616e-14 2.851874385024e-14 -1.7127268076352e-13 ] [ -1.345828361472e-14 -5.799879367296e-14 2.4545345830656e-13 ] [ -3.380592669888e-14 2.291112567744e-14 5.799879367296e-14 ] [ 3.52478856576e-14 -3.188331475392e-14 -4.32587687616e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.352435 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.183431498295165e-18 } }